1-methyl-7-[(E)-prop-1-enyl]benzimidazol-2-amine

C11H13N3 — CID 141184084

IUPAC1-methyl-7-[(E)-prop-1-enyl]benzimidazol-2-amine
SMILESC/C=C/c1cccc2nc(N)n(C)c12
InChIInChI=1S/C11H13N3/c1-3-5-8-6-4-7-9-10(8)14(2)11(12)13-9/h3-7H,1-2H3,(H2,12,13)/b5-3+
InChIKeyQQYNAUXDLKOBRJ-HWKANZROSA-N
MW187.25 g/mol
LogP2.19
Rot. Bonds1

About 1-methyl-7-[(E)-prop-1-enyl]benzimidazol-2-amine

1-methyl-7-[(E)-prop-1-enyl]benzimidazol-2-amine (PubChem CID 141184084) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 1-methyl-7-[(E)-prop-1-enyl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-methyl-7-[(E)-prop-1-enyl]benzimidazol-2-amine
PubChem CID141184084
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name1-methyl-7-[(E)-prop-1-enyl]benzimidazol-2-amine
SMILESC/C=C/c1cccc2nc(N)n(C)c12
InChIInChI=1S/C11H13N3/c1-3-5-8-6-4-7-9-10(8)14(2)11(12)13-9/h3-7H,1-2H3,(H2,12,13)/b5-3+
InChIKeyQQYNAUXDLKOBRJ-HWKANZROSA-N
XLogP2.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,7-dimethylbenzimidazol-2-amine;ethane
CID 170767427
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1-methyl-7-nitrobenzimidazol-2-amine
CID 57386848
6,7-difluoro-1-methylbenzimidazol-2-amine
CID 62532542
1-methylimidazo[4,5-f]quinoxalin-2-amine
CID 86048725
2,13-dimethyl-4,6,11,13-tetrazatricyclo[8.3.0.03,7]trideca-1(10),2,4,6,8,11-hexaene-5,12-diamine
CID 138453983
1,2,3-tris[(Z)-prop-1-enyl]benzene
CID 173113389
ethane;2-[(E)-prop-1-enyl]aniline
CID 90823299
7-[(E)-prop-1-enyl]-1,3-benzoxazole
CID 90277918
2,6-bis[(E)-prop-1-enyl]phenol
CID 21472692
1-N,1-N,7-trimethylbenzimidazole-1,2-diamine
CID 83017594
7-chlorobenzimidazole-1,2-diamine
CID 84618531

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-[(E)-prop-1-enyl]benzimidazol-2-amine?
The IUPAC name of 1-methyl-7-[(E)-prop-1-enyl]benzimidazol-2-amine (CID 141184084) is 1-methyl-7-[(E)-prop-1-enyl]benzimidazol-2-amine.
What is the SMILES notation for 1-methyl-7-[(E)-prop-1-enyl]benzimidazol-2-amine?
The canonical SMILES for 1-methyl-7-[(E)-prop-1-enyl]benzimidazol-2-amine is C/C=C/c1cccc2nc(N)n(C)c12.
What is the InChIKey of 1-methyl-7-[(E)-prop-1-enyl]benzimidazol-2-amine?
The InChIKey is QQYNAUXDLKOBRJ-HWKANZROSA-N. The full InChI is InChI=1S/C11H13N3/c1-3-5-8-6-4-7-9-10(8)14(2)11(12)13-9/h3-7H,1-2H3,(H2,12,13)/b5-3+.
What are the key properties of 1-methyl-7-[(E)-prop-1-enyl]benzimidazol-2-amine?
1-methyl-7-[(E)-prop-1-enyl]benzimidazol-2-amine has a molecular weight of 187.25 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-[(E)-prop-1-enyl]benzimidazol-2-amine is sourced from PubChem (CID 141184084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).